1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane

C14H27BrO2 — CID 106447437

IUPAC1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
SMILESCC(C)COCCOCC1(CBr)CCCCC1
InChIInChI=1S/C14H27BrO2/c1-13(2)10-16-8-9-17-12-14(11-15)6-4-3-5-7-14/h13H,3-12H2,1-2H3
InChIKeyCYPJSCDQKSKMCU-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.02
Rot. Bonds8

About 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane

1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane (PubChem CID 106447437) has the molecular formula C14H27BrO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
PubChem CID106447437
Molecular FormulaC14H27BrO2
Molecular Weight307.27 g/mol
Exact Mass306.12
IUPAC Name1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
SMILESCC(C)COCCOCC1(CBr)CCCCC1
InChIInChI=1S/C14H27BrO2/c1-13(2)10-16-8-9-17-12-14(11-15)6-4-3-5-7-14/h13H,3-12H2,1-2H3
InChIKeyCYPJSCDQKSKMCU-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopentane
CID 114470059
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
CID 65001994
[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]cyclohexyl]methanamine
CID 106456830

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane (CID 106447437) is 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane is CC(C)COCCOCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane?
The InChIKey is CYPJSCDQKSKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2/c1-13(2)10-16-8-9-17-12-14(11-15)6-4-3-5-7-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane?
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane has a molecular weight of 307.27 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane is sourced from PubChem (CID 106447437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).